| Catalog Number |
ACM285979795 |
| CAS |
285979-79-5 |
| Structure |
 |
| Synonyms |
3-Hydroxyestra-1,3,5(10),7-tetraen-17-one-d4; 7-Dehydroestrone-d4 |
| IUPAC Name |
(9S,13S,14S)-2,4,16,16-tetradeuterio-3-hydroxy-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-one |
| Molecular Weight |
272.38 |
| Molecular Formula |
C18H16D4O2 |
| InChI |
InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1/i3D,7D2,10D |
| InChI Key |
WKRLQDKEXYKHJB-DLIXUXMWSA-N |
| Melting Point |
238-240 °C (lit.) |
| Purity |
98 atom % D |
| Appearance |
White solid |
| Hazards |
Non-hazardous for transport. |
| Isomeric SMILES |
[2H]C1=CC2=C(CC=C3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)C(=C1O)[2H] |
| Isotopic Enrichment |
98 atom % D |
| Stability |
Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use. |
| Storage Conditions |
Store at room temperature |
| Unlabeled CAS |
474-86-2 |
| Unlabeled Synonyms |
3-Hydroxyestra-1,3,5(10); 7-Tetraen-17-one |
